7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
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7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
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CAS No:
8056-60-8
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Formula:
C21H22ClN7O13
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Chemical Name:
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
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Synonyms:
Pentrium;Pentrium;Chlordiazepoxide / Pentaerithrityl tetranitrate;Chlordiazepoxide mixture with Pentaerithrityl tetranitrate;1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester), mixt. with 7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide;8056-60-8
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CAS No:
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate Basic Attributes
615.9 g/mol
615.0964115 g/mol
Computed Properties
Molecular Weight:615.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:615.0964115
Monoisotopic Mass:615.0964115
Topological Polar Surface Area:268
Heavy Atom Count:42
Complexity:891
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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